[QE-users] Enabling van der Waal interaction

[Fabrizio Ferrari]

Dear Yuvam,
I am not an expert of vdw interactions. If you don't know it already, there
are some examples of vdw calculations with QE in folder
'test-suite/pw_vdw'. Not sure if you'll find what you are looking for, but
perhaps you could start by having a look there.
Best regards,
Fabrizio

On Fri, Aug 21, 2020 at 3:43 PM Yuvam Bhateja <yuvamb16 at gmail.com> wrote:

> Hello experts,
>
> Can anyone give some valuable information on this?
>
> Thank you.
>
> Regards
> Yuvam Bhateja
> IIEST Shibpur
>
> On Mon, 17 Aug 2020, 2:04 pm Yuvam Bhateja, <yuvamb16 at gmail.com> wrote:
>
>> Dear experts,
>>
>> Hope you are doing well.
>>
>> I want to enable van der Waal interaction with my heterogeneous system
>> having Cr2O3 and graphene stacked.
>> The interaction between the layers is week van der Waal interaction but
>> it wasn't mentioned what type of van der Waal in previous publications.
>> My question is which XC correlation and type of pseudopotential will be
>> best or at least better for which type of van der Waal forces?
>>
>> Thank you in advance.
>>
>> Regards
>> Yuvam Bhateja
>> B.Tech.
>> E&Tc
>> IIEST Shibpur
>> India
>>
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